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Dependencies
- igraph >=0.10.3
- matplotlib >=3.3.4
- mdanalysis >=2.0.0
- memoization >=0.3.1
- numba >=0.55.0
- numpy >=1.23.0
- pytest >=6.2.2
- rtoml >=0.9.0
- scipy >=1.6.3
- tqdm >=4.45.0
1 optional dependencies
- rdkit[smiles2residue]